tetrathiane

C2H4S4 — CID 593529

IUPACtetrathiane
SMILESC1CSSSS1
InChIInChI=1S/C2H4S4/c1-2-4-6-5-3-1/h1-2H2
InChIKeyAILGMPPHXLHASV-UHFFFAOYSA-N
MW156.32 g/mol
LogP2.68
Rot. Bonds

About tetrathiane

tetrathiane (PubChem CID 593529) has the molecular formula C2H4S4 and a molecular weight of 156.32 g/mol. Its IUPAC name is tetrathiane.

Molecular Properties

Compound Nametetrathiane
PubChem CID593529
Molecular FormulaC2H4S4
Molecular Weight156.32 g/mol
Exact Mass155.92
IUPAC Nametetrathiane
SMILESC1CSSSS1
InChIInChI=1S/C2H4S4/c1-2-4-6-5-3-1/h1-2H2
InChIKeyAILGMPPHXLHASV-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

tetrathiepane
CID 529755
1,2,3,4,5,6,7,8-octathiacyclohenicosane
CID 87476798
1,2,3,4,5,6,7,8,9-nonathiacycloheptacosane
CID 87474964
1,2,3,4,5,6-hexathiacyclohexadecane
CID 87477797
1,2,3,4,5,6-hexathiacyclotricosane
CID 87474346
1,2,4-trithiane
CID 14243801
(17E)-1,2,3,4,5,6-hexathiacyclooctadeca-13,15,17-triene
CID 173088587
dithiane;ethane
CID 87555342
dithiirane;methane
CID 159905497
bis(dithiirane);methane
CID 161270968
3,4,7,8-tetrahydrodithiocine
CID 174117655
1,2,6,10,11,15-hexathiacyclooctadecane
CID 12691715

Frequently Asked Questions

What is the IUPAC name of tetrathiane?
The IUPAC name of tetrathiane (CID 593529) is tetrathiane.
What is the SMILES notation for tetrathiane?
The canonical SMILES for tetrathiane is C1CSSSS1.
What is the InChIKey of tetrathiane?
The InChIKey is AILGMPPHXLHASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4S4/c1-2-4-6-5-3-1/h1-2H2.
What are the key properties of tetrathiane?
tetrathiane has a molecular weight of 156.32 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrathiane is sourced from PubChem (CID 593529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).